Mol:FL7ACIGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.7223 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7223 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1660 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6096 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6096 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1660 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0533 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0533 0.6680 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0591 0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6260 0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1930 0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1930 1.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6260 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0591 1.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0590 1.8226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1660 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9191 -1.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0765 -0.7161 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.7757 -1.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3541 -1.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9361 -1.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2370 -0.7161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6585 -0.8814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5178 -0.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7000 -0.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6711 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4897 -1.4299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1185 -1.9198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5840 -1.7120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9731 -1.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4431 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9107 -1.5783 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.0806 -1.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4689 -2.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2778 -2.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1930 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1930 0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 2.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3508 3.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0795 0.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5795 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1358 -1.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1358 -2.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6031 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1865 -0.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
14 17 1 0 0 0 0
3 18 1 0 0 0 0
19 8 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 18 1 0 0 0 0
13 38 1 0 0 0 0
38 39 1 0 0 0 0
15 40 1 0 0 0 0
40 41 1 0 0 0 0
1 42 1 0 0 0 0
42 43 1 0 0 0 0
23 44 1 0 0 0 0
44 45 1 0 0 0 0
34 46 1 0 0 0 0
46 47 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 46 47
M SBL 5 1 50
M SMT 5 CH2OH
M SVB 5 50 -3.3091 -0.7942
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 44 45
M SBL 4 1 48
M SMT 4 CH2OH
M SVB 4 48 3.2891 -1.2104
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 42 43
M SBL 3 1 46
M SMT 3 OCH3
M SVB 3 46 -2.0795 0.9656
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 44
M SMT 2 OCH3
M SVB 2 44 1.9094 2.2261
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 42
M SMT 1 OCH3
M SVB 1 42 2.4026 0.4617
S SKP 8
ID FL7ACIGL0001
KNApSAcK_ID C00006751
NAME Hirsutin
CAS_RN 32221-58-2
FORMULA C30H37O17
EXACTMASS 669.203074758
AVERAGEMASS 669.60458
SMILES [C@@H](CO)(O1)[C@H](O)C(C(O)[C@@H]1Oc(c4c(c5)cc(OC)c(O)c(OC)5)cc(c([o+1]4)3)c(cc(OC)c3)O[C@@H]([C@@H](O)2)OC([C@H](O)[C@@H]2O)CO)O
M END
